The shortage in water resources have been observed all over the world. However, the safety of drinking water has been given much attention by scientists because the disinfection will react with organic matters in drinking water to generate disinfection by-products (DBPs) which are considered as the cancerigenic matters. Although much research has been carried out on the water quality control problem in DWDS, the water quality model considered is linear with only chlorine dynamics. Compared to the linear water quality model, the nonlinear water quality model considers the interaction between chlorine and DBPs dynamics. The thesis proposes a nonlinear model predictive controller which utilises the newly derived nonlinear water quality model as a control alternative for controlling water quality. EPANET and EPANET-MSN are simulators utilised for modelling in the developed nonlinear MPC controller. Uncertainty is not considered in these simulators. This thesis proposes the bounded PPM in a form of multi-input multi-output to robustly bound parameters of chlorine and DBPs jointly and to robustly predict water quality control outputs for quality control purpose. The methodologies and algorithms developed in this thesis are verified by applying extended case studies to the example DWDS. The simulation results are presented and critically analysed.

This research focused on evaluating the water savings that could be achieved from Trade Effluent Recycling and Reuse (TERR) in the UK Food and Beverage Manufacturing Sector (FBM) and on identifying the current and future factors that can impact on the success of this application in the UK. The research data suggest that the water regenerated from a widespread application of TERR in the FBM can potentially satisfy 44% of future increases in water demand. However, it was evident from the research findings that there is a need to clarify implementation strategies and validate the safety, reliability and economic feasibility of TERR projects before this application can be approved by the salient stakeholders in the FBM. Alternative future scenarios were also developed to evaluate the impact that changes in the environmental and socio-economic domains (ESE) are likely to have on TERR in the FBM. It was evident from the narratives that emerged from these scenarios that future changes in ESE are likely to have a positive impact on the approval of TERR projects. The findings also highlight the key role that TERR can potentially play in improving the resilience of the UK against future water shortages through providing a significant percentage of the projected future increases in water demand.

This thesis aims to apply recent conceptual frameworks for climate change impact assessment to the road freight sector of Great Britain in order to identify potential future safety issues. The freight sector is a key component of Great Britain’s economy, and one which is particularly vulnerable to the effects of adverse weather. An assessment of the current patterns in weather related freight accidents is produced, and existing studies on accident causation are elaborated upon to arrive at relationships between key meteorological parameters and freight accident rates. These relationships are extrapolated onto various climate scenarios under low, medium and high emissions for the 2020s, 2050s and 2080s using UKICP09 climate tools to arrive at projections of possible impacts at a regional scale. This thesis also addresses a key criticism of the previous climate change impact assessment literature; that studies usually neglect the consideration of what the network will look like in the future, how it will be used, and how this will impact upon its vulnerability to meteorology. The way in which the network is designed, the resilience of the vehicles that operate on it and the split of usage between the various modes will all affect the impacts that are likely to be seen, and are all determined by the broader socio-economic pathway of the country. Delphi techniques are used for short term forecasts of growth and to identify emerging issues with the industry. UKCIP data is used to extend these projections to 2050. By combining social and physical techniques, a more holistic picture of future impacts is found. Although the confluence of safer technology and a reduction of winter road icing and summer precipitation events could potentially lead to a safer operating environment, certain scenarios which promote high emissions, a larger freight fleet and low investment in infrastructure could cause problems, especially for winter precipitation events.

Establishing relationships between morphology and behaviour in response to environmental selection pressures are crucial to understand the evolution of diversity within groups such as the hominoids. Muscle architecture (fascicle length and physiological cross-sectional area) from the fore and hindlimbs in the non-human apes were compared, with the result that it did not differ substantially, likely reflecting their characteristic use of orthograde behaviours. At the micro-architecture level, significant differences in the proportions of fast and slow muscle fibres of the triceps surae were found between orangutans and chimpanzees, reflecting subtle differences in locomotion and habitat use. As the largest, predominantly arboreal ape, orangutans were expected to have specific behavioural adaptations to the complex arboreal habitat. A new method was developed, Sutton Movement Writing and was successfully applied to record the subtle variations in positional behaviour and compliant support use in orangutans under field conditions. Finally, postural specialisations used during feeding in the terminal branch niche were identified. Overall, this thesis shows that although the non-human apes appear to share overall behaviours and morphology, more subtle variations in micro-architecture and behaviour are present in orangutans in response to their habitat, and reflects key adaptations since their split from the last common-ape ancestor.

In this thesis we develop and use a continuum random walk framework to solve problems that are usually studied using a discrete random walk on a discrete lattice. Problems studied include; the time it takes for a random walker to be absorbed at a trap on a fractal lattice, the calculation of the spectral dimension for several different classes of networks, the calculation of the density of states for a multi-layered Bethe lattice and the relationship between diffusion exponents and a resistivity exponent that occur in relevant power laws. The majority of the results are obtained by deriving an expression for a Laplace transformed Green’s function or first passage time, and then using Tauberian theorems to find the relevant asymptotic behaviour. The continuum framework is established by studying the diffusion equation on a 1-d bar with non-homogeneous boundary conditions. The result is extended to model diffusion on networks through linear algebra. We derive the transformation linking the Green’s functions and first passage time results in the continuum and discrete settings. The continuum method is used in conjunction with renormalization techniques to calculate the time taken for a random walker to be absorbed at a trap on a fractal lattice and also to find the spectral dimension of new classes of networks. Although these networks can be embedded in the d- dimensional Euclidean plane, they do not have a spectral dimension equal to twice the ratio of the fractal dimension and the random walk dimension when the random walk on the network is transient. The networks therefore violate the Alexander-Orbach law. The fractal Einstein relationship (a relationship relating a diffusion exponent to a resistivity exponent) also does not hold on these networks. Through a suitable scaling argument, we derive a generalised fractal Einstein relationship which holds for our lattices and explains anomalous results concerning transport on diffusion limited aggregates and Eden trees.

De nombreuses kinases participent au bon déroulement de chaque étape du cycle cellulaire. Chez les eucaryotes supérieurs, les kinases Aurora-A et Aurora-B, structuralement très proches, exercent des rôles fondamentaux durant la mitose. Aurora-A est une protéine localisée au niveau des centrosomes, impliquée dans le cycle de division du centrosome et la formation du fuseau mitotique. Aurora-B est une protéine passagère localisée sur les centromères et qui migre, en anaphase, sur le sillon de division et se concentre en cytocinèse sur le corps résiduel. Aurora-B est responsable de la phosphorylation massive, en mitose, du résidu Serine 10 de l'histone H3. Par un système de pseudo-génétique, j'ai ciblé, dans l'extrémité amino-terminale de Aurora-A, le domaine responsable de sa localisation centrosomique. Ces expériences ont montré que les domaines catalytiques de Aurora-A et Aurora-B possèdent tous deux un signal de localisation centromérique. Mais, à l'inverse de Aurora-B, le domaine catalytique de Aurora-A ne se transfert pas des centromères vers le sillon de division en anaphase. Ces travaux montrent également que Aurora-A est capable d'assurer une partie des fonctions mitotiques de Aurora-B. J'ai par ailleurs identifié et cloné la séquence de la protéine passagère TD-60 de Xenopus laevis. J'ai exprimé des domaines protéiques de la protéine xTD60, afin de générer un anticorps spécifique de TD-60 de xénope. Des expériences de co-sédimentation de complexes protéiques d'extraits mitotiques d'œufs de xénope et des expériences d'immunolocalisation cellulaire nous permettent d'envisager pour xTD-60 des fonctions plus larges que celles attribuées aux protéines passagères.

<p>Bilirubin is a degradation product of haem, which is constantly formed in all</p><p>mammals. Increased levels of bilirubin in humans lead to jaundice, a condition</p><p>that is very common during the first days after birth. This neonatal</p><p>jaundice can routinely be treated by phototherapy without any serious side</p><p>effects. During this treatment, bilirubin undergoes a photoreaction to isomers</p><p>that can be excreted. The most efficient photoreaction is the isomerisation</p><p>around a double bond (Z-E-isomerisation), which results in more soluble</p><p>photoproducts.</p><p>The work presented in this thesis shows results of a femtosecond optical</p><p>spectroscopy study, combined with quantum-mechanical investigations, of</p><p>the mechanism of isomerisation of bilirubin. The spectroscopic research was</p><p>conducted with bilirubin in organic solvents, and in buffer complexed by</p><p>human serum albumin. This albumin complex is present in the blood, and</p><p>has thus medical importance. Quantum-chemical calculations (CASSCF) on</p><p>a bilirubin model were used to explain experimental results.</p><p>The fluorescence decay observed with femtosecond spectroscopy shows an</p><p>ultrafast component (~120 fs), which is explained by exciton localisation,</p><p>followed by processes with a lifetime of about 1-3 ps. These are interpreted</p><p>as the formation of a twisted intermediate, which decays with a lifetime of</p><p>10-15 ps back to the ground state, as observed by absorption spectroscopy.</p><p>CASSCF calculations, in combination with the experimental results, suggest</p><p>the ca. 1-3 ps components to be relaxation to the twisted S1 minimum, followed</p><p>by the crossing of a barrier, from where further relaxation takes place</p><p>through a conical intersection back to the ground state.</p><p>Time-dependent DFT calculations were utilised to analyse the absorption</p><p>spectrum of bilirubin. Good agreement with the measured spectrum was</p><p>achieved, and low-lying states were observed, that need further investigation.</p><p>The theoretically obtained CD spectrum provides direct evidence that</p><p>bilirubin preferentially binds to human serum albumin in the enantiomeric</p><p>P-form at neutral pH.</p> / <p>Bilirubin är en nedbrytningsprodukt av hem som ständigt bildas hos alla</p><p>däggdjur. En förhöjd bilirubinkoncentration i den mänskliga kroppen kan</p><p>leda till gulsot, något som är mycket vanligt under de första dagarna efter</p><p>födelsen (neonatal gulsot). Fototerapi används rutinmässigt som säker behandlingsmetod,</p><p>under vilken bilirubin genomgår en fotoreaktion till en</p><p>isomer som kan utsöndras. Den mest effektiva fotoreaktionen är en Z-Eisomerisation,</p><p>vilken leder till lösligare fotoprodukter.</p><p>Arbetet som presenteras i denna avhandling visar resultaten av en kombinerad</p><p>femtosekund optisk-spektroskopisk och kvantmekanisk undersökning</p><p>av mekanismen bakom bilirubins isomerisation. Den spektroskopiska</p><p>studien genomfördes med bilirubin, löst i organiska lösningsmedel och i</p><p>buffert i komplex med humant serumalbumin. Detta albuminkomplex finns i</p><p>blodet, och är därför av medicinskt intresse. Kvantmekanistiska CASSCFberäkningar</p><p>på en bilirubinmodell användes för att förklara de experimentella</p><p>resultaten.</p><p>Det uppmätta fluorescence sönderfallet visar ultrasnabba komponenter</p><p>(~120 fs). Dessa tolkas som excitonlokalisering, som följs av bildandet av</p><p>ett vridet intermediat med en hastighetskonstant på ca. 1 ps-1(beroende på</p><p>lösningsmedlet). Absorptionsmätningar visar att detta intermediat sönderfaller</p><p>tillbaka till grundtillståndet med en livstid på 10-15 ps.</p><p>CASSCF beräkningar, i kombination med de experimentella resultaten, tyder</p><p>på att sönderfallet med livslängden på ca. 1 ps är en relaxation till det</p><p>vridna S1-tillståndet. Reaktionsvägen därifrån antas passera en barriär till en</p><p>konisk genomskärning, som möjliggör snabb relaxation till grundtillståndet.</p><p>Tidsberoende DFT-beräkningar användes för att analysera bilirubins absorptionsspektrum,</p><p>vilket gav bra överensstämmelse med uppmätta data. Dessutom</p><p>hittades ett tillstånd med låg excitationsenergi, som kräver ytterligare</p><p>studier. Med hjälp av det beräknade CD-spectret kunde det visas att bilirubin</p><p>binder till albumin i P-formen vid neutralt pH.</p>

No description available.

Bilirubin is a degradation product of haem, which is constantly formed in all mammals. Increased levels of bilirubin in humans lead to jaundice, a condition that is very common during the first days after birth. This neonatal jaundice can routinely be treated by phototherapy without any serious side effects. During this treatment, bilirubin undergoes a photoreaction to isomers that can be excreted. The most efficient photoreaction is the isomerisation around a double bond (Z-E-isomerisation), which results in more soluble photoproducts. The work presented in this thesis shows results of a femtosecond optical spectroscopy study, combined with quantum-mechanical investigations, of the mechanism of isomerisation of bilirubin. The spectroscopic research was conducted with bilirubin in organic solvents, and in buffer complexed by human serum albumin. This albumin complex is present in the blood, and has thus medical importance. Quantum-chemical calculations (CASSCF) on a bilirubin model were used to explain experimental results. The fluorescence decay observed with femtosecond spectroscopy shows an ultrafast component (~120 fs), which is explained by exciton localisation, followed by processes with a lifetime of about 1-3 ps. These are interpreted as the formation of a twisted intermediate, which decays with a lifetime of 10-15 ps back to the ground state, as observed by absorption spectroscopy. CASSCF calculations, in combination with the experimental results, suggest the ca. 1-3 ps components to be relaxation to the twisted S1 minimum, followed by the crossing of a barrier, from where further relaxation takes place through a conical intersection back to the ground state. Time-dependent DFT calculations were utilised to analyse the absorption spectrum of bilirubin. Good agreement with the measured spectrum was achieved, and low-lying states were observed, that need further investigation. The theoretically obtained CD spectrum provides direct evidence that bilirubin preferentially binds to human serum albumin in the enantiomeric P-form at neutral pH. / Bilirubin är en nedbrytningsprodukt av hem som ständigt bildas hos alla däggdjur. En förhöjd bilirubinkoncentration i den mänskliga kroppen kan leda till gulsot, något som är mycket vanligt under de första dagarna efter födelsen (neonatal gulsot). Fototerapi används rutinmässigt som säker behandlingsmetod, under vilken bilirubin genomgår en fotoreaktion till en isomer som kan utsöndras. Den mest effektiva fotoreaktionen är en Z-Eisomerisation, vilken leder till lösligare fotoprodukter. Arbetet som presenteras i denna avhandling visar resultaten av en kombinerad femtosekund optisk-spektroskopisk och kvantmekanisk undersökning av mekanismen bakom bilirubins isomerisation. Den spektroskopiska studien genomfördes med bilirubin, löst i organiska lösningsmedel och i buffert i komplex med humant serumalbumin. Detta albuminkomplex finns i blodet, och är därför av medicinskt intresse. Kvantmekanistiska CASSCFberäkningar på en bilirubinmodell användes för att förklara de experimentella resultaten. Det uppmätta fluorescence sönderfallet visar ultrasnabba komponenter (~120 fs). Dessa tolkas som excitonlokalisering, som följs av bildandet av ett vridet intermediat med en hastighetskonstant på ca. 1 ps-1(beroende på lösningsmedlet). Absorptionsmätningar visar att detta intermediat sönderfaller tillbaka till grundtillståndet med en livstid på 10-15 ps. CASSCF beräkningar, i kombination med de experimentella resultaten, tyder på att sönderfallet med livslängden på ca. 1 ps är en relaxation till det vridna S1-tillståndet. Reaktionsvägen därifrån antas passera en barriär till en konisk genomskärning, som möjliggör snabb relaxation till grundtillståndet. Tidsberoende DFT-beräkningar användes för att analysera bilirubins absorptionsspektrum, vilket gav bra överensstämmelse med uppmätta data. Dessutom hittades ett tillstånd med låg excitationsenergi, som kräver ytterligare studier. Med hjälp av det beräknade CD-spectret kunde det visas att bilirubin binder till albumin i P-formen vid neutralt pH.

Polychlorinated biphenyls (PCBs) are toxic and persistent anthropogenic contaminants. Concern on their adverse health effects has led to their regulation in air, water and/or soil in addition to sludge. Hence, removal of PCBs in various matrices, including transformer oils (TO) is a priority. This study aims to investigate PCB-118 and Aroclor 1254 toxicity and dechlorination by varying certain critical experimental components including electron donor (sludge or fatty acids), inocula (unacclimated or acclimated culture) and the doses of PCB and TO under anaerobic conditions. Anaerobic toxicity assays (ATA) reactors, lab-scale anaerobic batch digesters and sediment microcosms were used for this purpose. Increase in PCB-118 and TO doses affected anaerobic digester performance by negatively influencing methanogenesis, while favoring dechlorination only with the increase in PCB-118 dose. Up to 22% PCB-118 removal was attained with unacclimated culture. Studies with acclimated cultures showed Grasse River (GR) sediment to be the most active when compared to Fox River and Baltimore Harbor sediments. In GR sediment microcosms, PCB-118 and Aroclor 1254 removal efficiencies decreased when TO was present (1%), while 10% TO inhibited PCB dechlorination. Waste activated sludge was shown to be an effective electron donor, similar to fatty acids. Aroclor 1254 dechlorination was dechlorinated through removal of flanked meta and para chlorines, however, dechlorination pathways appeared to differ according to the presence/absence of TO. No ortho or unflanked chlorines were removed. Molecular tools (qPCR and DHPLC) were used to confirm the presence of active PCB dechlorinators. Dechlorination of PCBs was shown to be growth-linked.